4GUP
Structure of MHC-class I related molecule MR1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95453 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.154, 89.777, 171.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.670 - 3.200 |
R-factor | 0.1964 |
Rwork | 0.193 |
R-free | 0.25950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ydp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.160 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.780 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.266 | 0.686 |
Number of reflections | 15374 | |
<I/σ(I)> | 4.5 | 1.8 |
Completeness [%] | 98.1 | 95.7 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.02M MgCl2, 0.1M HEPES, 22% polyacrylic acid 5100 sodium salt, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |